! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
O    0.4433045031   2.1877274604   0.0062544130
O   -0.6213360179  -2.2688257990  -0.0012219436
N   -0.1423995015  -0.0292836571   0.0016656867
N    1.5378315747  -1.6501970277  -0.0013306436
C   -1.5736679514   0.3375167477  -0.0005906243
C   -2.3029539319  -0.0891365763  -1.2736422101
C   -2.3082456121  -0.0910701651   1.2687330467
C   -3.7274813724   0.4607410855  -1.2615096028
C   -3.7326212352   0.4591708248   1.2513336952
C   -4.4785943929   0.0297690423  -0.0068948239
C    2.1715429998   0.6123176961   0.0035556711
C    2.4909949559  -0.6909522517  -0.0001216042
C    0.7988351949   1.0198985709   0.0042455101
C    3.3814840919   1.4909284221  -0.0007306638
C    3.9567125873  -0.9432124622  -0.0075532420
C    4.5587136101   0.4808528514   0.0193764997
C    0.1957976470  -1.3676685235  -0.0002813975
H   -1.5661380831   1.4267746372   0.0002317717
H   -2.3396786733  -1.1756540313  -1.3593194285
H   -1.7630406464   0.2863470198  -2.1470341926
H   -1.7719686262   0.2829461975   2.1449981597
H   -2.3455911138  -1.1777648437   1.3526220803
H   -4.2555188268   0.1251200479  -2.1571663294
H   -3.7005511998   1.5549485707  -1.3105048773
H   -3.7056767906   1.5533251487   1.3016275693
H   -4.2644546688   0.1227514585   2.1444129872
H   -5.4891558067   0.4460039274  -0.0087280440
H   -4.5918087369  -1.0601156444  -0.0078698402
H    3.4129946302   2.1326470769  -0.8842072632
H    3.4047981070   2.1565967490   0.8648529354
H    4.2540503255  -1.5449887318   0.8544807302
H    4.2461846510  -1.5089517368  -0.8965419240
H    5.2157875304   0.6340392711  -0.8348718341
H    5.1665962908   0.6178055145   0.9120555997
H    1.7877573908  -2.6294424682  -0.0043311812
*